Hydrochloric Acid

Hydrochloric Acid

SCHEMBL228100

Cl.O=C(O)c1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 known ✓ Q9Y5N1 1/20 0.62
PSMB1 P20618 9/20 0.78
PSMB5 P28074 9/20 0.78
PSMB2 P49721 7/20 0.78
LTA4H P09960 1/20 0.72
KDM4E B2RXH2 5/20 0.69
ALDH1A1 P00352 4/20 0.61
MAPT P10636 2/20 0.61
THRB P10828 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
TSHR P16473 1/20 0.61
LMNA P02545 1/20 0.61
CYP3A4 P08684 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL228398 1.00 PSMB1 (0.78) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL1027972 0.98 PSMB1 (0.80) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL2741667 0.98 PSMB1 (0.80) PSMB1PSMB5PSMB2LTA4HKDM4E
Hydrochloric Acid SCHEMBL227699 0.98 PSMB1 (0.75) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL6442924 0.97 PSMB1 (0.77) PSMB1PSMB5PSMB2LTA4HKDM4E
Hydrochloric Acid SCHEMBL7626127 0.96 PSMB1 (0.72) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL2344523 0.94 PSMB1 (0.74) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL7132076 0.93 PSMB1 (0.71) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL7139772 0.93 PSMB1 (0.71) PSMB1PSMB5PSMB2LTA4HKDM4E
Hydrochloric Acid SCHEMBL4224584 0.93 KDM4E (0.73) PSMB1PSMB5PSMB2KDM4EHRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011029088-A2 PREPARATION OF RALOXIFENE AND ITS SALTS DR. REDDY'S LABORATORIES LTD. (IN) 2011-03-10 WO claimed
WO-2005003116-A9 PROCESS FOR PREPARING RALOXIFENE HYDROCHLORIDE ERREGIERRE SPA (IT) 2008-09-25 WO claimed
EP-1641773-B1 PROCESS FOR PREPARING RALOXIFENE HYDROCHLORIDE ERREGIERRE SPA (IT) 2008-07-23 EP claimed
US-20070100147-A1 Process for preparing raloxifene hydrochloride ERREGIERRE S.P.A (IT) 2007-05-03 US claimed
EP-1641773-A1 PROCESS FOR PREPARING RALOXIFENE HYDROCHLORIDE ERREGIERRE S.p.A. (IT) 2006-04-05 EP claimed
WO-2005003116-A1 PROCESS FOR PREPARING RALOXIFENE HYDROCHLORIDE ERREGIERRE S.P.A. (IT) 2005-01-13 WO claimed
US-20240246943-A1 MULTIFACETED APPROACH TO NOVEL INTERLEUKIN-6 INHIBITORS University of Florida Research Fooundation, Incorporated (US) 2024-07-25 US disclosed
WO-2022226133-A1 MULTIFACETED APPROACH TO NOVEL INTERLEUKIN-6 INHIBITORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-10-27 WO disclosed
US-11208397-B2 Small molecule antagonists of sumo related modification of CRMP2 and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-12-28 US disclosed
US-20200277271-A1 SMALL MOLECULE ANTAGONISTS OF SUMO RELATED MODIFICATION OF CRMP2 AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2020-09-03 US disclosed
WO-2015156428-A1 NOVEL METHOD FOR PREPARING AMORPHOUS RALOXIFENE HYDROCHLORIDE SALT AND NOVEL INTERMEDIATE USED THEREFOR 코오롱생명과학 주식회사 2015-10-15 WO disclosed
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
WO-1996040677-A1 PROCESS FOR THE SYNTHESIS OF BENZO[b]THIOPHENES ELI LILLY AND COMPANY (US) 1996-12-19 WO disclosed
WO-1996040691-A1 VINYL SULFOXIDES AND A PROCESS FOR THEIR SYNTHESIS ELI LILLY AND COMPANY (US) 1996-12-19 WO disclosed
US-5569772-A CHEMICAL INTERMEDIATES ELI LILLY AND COMPANY (US) 1996-10-29 US disclosed
US-5514826-A INTERMEDIATES FOR 2-ARYLBENZO(B)THIOPHENES ELI LILLY AND COMPANY (US) 1996-05-07 US disclosed
US-5512701-A REACTING SULFOXIDE DERIVATIVE WITH A SILYATING AGENT TO FORM SULFENATE SILYL ESTER, OPTIONALLY REACTING INTERMEDIATE WITH AN AMINE AND/OR A MERCAPTAN ELI LILLY AND COMPANY (US) 1996-04-30 US disclosed
WO-1996009045-A1 ANTIESTROGENIC BENZOTHIOPHENYL COMPOUNDS ELI LILLY AND COMPANY (US) 1996-03-28 WO disclosed
EP-0699672-A1 Process for preparing benzoic acid derivative intermediates and benzothiophene pharmaceutical agents ELI LILLY AND COMPANY (US) 1996-03-06 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070100147-A1 Process for preparing raloxifene hydrochloride KAT2A, ADH1A, KAT2B HRH3 83/4885PSMB1 682/4885PSMB5 898/4885
US-11208397-B2 Small molecule antagonists of sumo related modification of CRMP2 and uses thereof SUMO2, SUMO1, SUMO3 HRH3 1146/4885PSMB1 50/4885PSMB5 74/4885
US-20240246943-A1 MULTIFACETED APPROACH TO NOVEL INTERLEUKIN-6 INHIBITORS IL6, IL6ST, IL36G HRH3 3168/4885PSMB1 3699/4885PSMB5 3347/4885
US-20200277271-A1 SMALL MOLECULE ANTAGONISTS OF SUMO RELATED MODIFICATION OF CRMP2 AND USES THEREOF SUMO2, SUMO1, SUMO3 HRH3 1146/4885PSMB1 50/4885PSMB5 74/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.